CID 53551652

1280938-35-3

Structural Information

Molecular Formula
C15H26N4O2S
SMILES
CC1=C(SC(=N1)N2CCOCC2)CNCC3CN(CCO3)C
InChI
InChI=1S/C15H26N4O2S/c1-12-14(10-16-9-13-11-18(2)3-8-21-13)22-15(17-12)19-4-6-20-7-5-19/h13,16H,3-11H2,1-2H3
InChIKey
UBECAYNDCJPKJV-UHFFFAOYSA-N
Compound name
1-(4-methylmorpholin-2-yl)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.17764 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18492 177.9
[M+Na]+ 349.16686 182.0
[M-H]- 325.17036 183.6
[M+NH4]+ 344.21146 187.1
[M+K]+ 365.14080 180.2
[M+H-H2O]+ 309.17490 168.5
[M+HCOO]- 371.17584 186.6
[M+CH3COO]- 385.19149 186.3
[M+Na-2H]- 347.15231 175.7
[M]+ 326.17709 175.4
[M]- 326.17819 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe